3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide

C16H13N3O2S — CID 2241566

IUPAC3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nsc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H13N3O2S/c1-21-13-9-5-8-12(10-13)14(20)17-16-18-15(22-19-16)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19,20)
InChIKeyOOYQRXVIOYOGMD-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

About 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide

3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide (PubChem CID 2241566) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
PubChem CID2241566
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nsc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H13N3O2S/c1-21-13-9-5-8-12(10-13)14(20)17-16-18-15(22-19-16)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19,20)
InChIKeyOOYQRXVIOYOGMD-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide
CID 25476563
N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide
CID 171982252
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294
2-chloro-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
CID 44669186
3-methoxy-N-(4-methyl-2-phenylphenyl)benzamide
CID 110441633
2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide
CID 70807881
3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727778
3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 5162115

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The IUPAC name of 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide (CID 2241566) is 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide is COc1cccc(C(=O)Nc2nsc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The InChIKey is OOYQRXVIOYOGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-13-9-5-8-12(10-13)14(20)17-16-18-15(22-19-16)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19,20).
What are the key properties of 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide is sourced from PubChem (CID 2241566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).